3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide

C19H19FN2O — CID 50969575

IUPAC3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(CN2CC=CCC2)c1
InChIInChI=1S/C19H19FN2O/c20-17-8-5-9-18(13-17)21-19(23)16-7-4-6-15(12-16)14-22-10-2-1-3-11-22/h1-2,4-9,12-13H,3,10-11,14H2,(H,21,23)
InChIKeyRUYDJLLTCBVKLK-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.84
Rot. Bonds4

About 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide

3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide (PubChem CID 50969575) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide
PubChem CID50969575
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(CN2CC=CCC2)c1
InChIInChI=1S/C19H19FN2O/c20-17-8-5-9-18(13-17)21-19(23)16-7-4-6-15(12-16)14-22-10-2-1-3-11-22/h1-2,4-9,12-13H,3,10-11,14H2,(H,21,23)
InChIKeyRUYDJLLTCBVKLK-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
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N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
3-[3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
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CID 109056732

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide (CID 50969575) is 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1cccc(CN2CC=CCC2)c1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide?
The InChIKey is RUYDJLLTCBVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c20-17-8-5-9-18(13-17)21-19(23)16-7-4-6-15(12-16)14-22-10-2-1-3-11-22/h1-2,4-9,12-13H,3,10-11,14H2,(H,21,23).
What are the key properties of 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide?
3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide has a molecular weight of 310.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 50969575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).